V018-7012 Screening compound: ethyl 1-ethyl-6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V018-7012 Screening compound: ethyl 1-ethyl-6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V018-7012 Screening compound: ethyl 1-ethyl-6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7012
ethyl 1-ethyl-6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V018-7012

Molecular Formula

C27H30F2N4O4 (C27 H30 F2 N4 O4)

Compound Name

ethyl 1-ethyl-6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 1-ethyl-6-{[4-(2-fluorobenzoyl)piperazin-1-yl]methyl}-4-(4-fluorophenyl)-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(CN(CC1)CCN1C(c(cccc1)c1F)=O)=C(C(c(cc1)ccc1F)N1)C(OCC)=O)C1=O

InChI

InChI=1S/C27H30F2N4O4/c1-3-33-22(17-31-13-15-32(16-14-31)25(34)20-7-5-6-8-21(20)29)23(26(35)37-4-2)24(30-27(33)36)18-9-11-19(28)12-10-18/h5-12,24H,3-4,13-17H2,1-2H3,(H,30,36)/t24-/m1/s1

InChI Key

ZDOPZSSBAGXNMU-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19813859

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

512.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-3.32

Polar Surface Area

68.938

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V018-7012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7012?
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What is the minimum amount of V018-7012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7012
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V018-7012 available by request